N2-(4-azanylcyclohexyl)-N6-[4-(morpholin-4-ylmethyl)phenyl]-9-phenyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[4-(morpholin-4-ylmethyl)phenyl]-9-phenyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[4-(morpholinomethyl)phenyl]-9-phenyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[4-(4-morpholinylmethyl)phenyl]-9-phenylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[4-(morpholin-4-ylmethyl)phenyl]-9-phenylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[4-(morpholinomethyl)anilino]-9-phenyl-purin-2-yl]amine Formula: C28H34N8O MolecularWeight: 498.62256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)CN5CCOCC5)N=CN3C6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)CN5CCOCC5)N=CN3C6=CC=CC=C6

InChI

InChI=1S/C28H34N8O/c29-21-8-12-23(13-9-21)32-28-33-26(25-27(34-28)36(19-30-25)24-4-2-1-3-5-24)31-22-10-6-20(7-11-22)18-35-14-16-37-17-15-35/h1-7,10-11,19,21,23H,8-9,12-18,29H2,(H2,31,32,33,34)